Glycoside
...
GD151312

Name:
22-(acetyloxy)-10-{[4,5-dihydroxy-6-({[2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxy}methyl)-3-{[3,4,5-trihydroxy-6-({[3-(4-hydroxyphenyl)prop-2-enoyl]oxy}methyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-2-hydroxy-4,5,9,9,13,20,20-heptamethyl-23-oxo-24-oxahexacyclo[15.5.2.0¹,¹⁸.0⁴,¹⁷.0⁵,¹⁴.0⁸,¹³]tetracosan-21-yl 2-methylbut-2-enoate

Formula:
C65H94O24

Smiles:
CC=C(C)C(=O)OC1C(OC(C)=O)C23C(=O)OC4(CCC5C6(C)CCC(OC7OC(COC8CC(CO)C(O)C(O)C8O)C(O)C(O)C7OC7OC(COC(=O)C=Cc8ccc(O)cc8)C(O)C(O)C7O)C(C)(C)C6CCC5(C)C4(C)CC2O)C3CC1(C)C

Aglycone:
CC=C(C)C(=O)OC1C(OC(C)=O)C23C(=O)OC4(CCC5C6(C)CCC(O)C(C)(C)C6CCC5(C)C4(C)CC2O)C3CC1(C)C.COC(=O)C=Cc1ccc(O)cc1.COC1CC(CO)C(O)C(O)C1O

Sugarmoiety:
OC1OC(OC2C(O)OC(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 24 RingCount: 10
HBD: 11 FractionCSP3: 0.78
AlogP: 2.01 Num_rotatable_bonds: 15
MolWt: 1259.44 Num_heavy_atoms: 89
TPSA: 373.88 NumAromaticRings: 1

Unique Aglycone
AD00020
Formula: C10H10O3

Smiles:
COC(=O)C=Cc1ccc(O)cc1
HBA: 3 RingCount: 1
HBD: 1 FractionCSP3: 0.1
AlogP: 1.58 Num_rotatable_bonds: 2
MolWt: 178.19 Num_heavy_atoms: 13
TPSA: 46.53 NumAromaticRings: 1
AD47730
Formula: C8H16O5

Smiles:
COC1CC(CO)C(O)C(O)C1O
HBA: 5 RingCount: 1
HBD: 4 FractionCSP3: 1.0
AlogP: -1.9 Num_rotatable_bonds: 2
MolWt: 192.21 Num_heavy_atoms: 13
TPSA: 90.15 NumAromaticRings: 0
AD60359
Formula: C37H56O8

Smiles:
CC=C(C)C(=O)OC1C(OC(C)=O)C23C(=O)OC4(CCC5C6(C)CCC(O)C(C)(C)C6CCC5(C)C4(C)CC2O)C3CC1(C)C
HBA: 8 RingCount: 6
HBD: 2 FractionCSP3: 0.86
AlogP: 5.91 Num_rotatable_bonds: 3
MolWt: 628.85 Num_heavy_atoms: 45
TPSA: 119.36 NumAromaticRings: 0

Sugarmoiety
SD00502

OC1OC(OC2C(O)OC(O)C(O)C2O)C(O)C(O)C1O