Glycoside
...
GD151860

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

Formula:
C60H88O23

Smiles:
CC(=O)OC1C(O)C(C)(C)CC2C13C(=O)OC21CCC2C4(C)CCC(OC5OC(COC6CC(CO)C(O)C(O)C6O)C(O)C(O)C5OC5OC(COC(=O)C=Cc6ccc(O)cc6)C(O)C(O)C5O)C(C)(C)C4CCC2(C)C1(C)CC3O

Aglycone:
CC(=O)OC1C(O)C(C)(C)CC2C13C(=O)OC21CCC2C4(C)CCC(O)C(C)(C)C4CCC2(C)C1(C)CC3O.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: 23 RingCount: 10
HBD: 12 FractionCSP3: 0.82
AlogP: 0.5 Num_rotatable_bonds: 13
MolWt: 1177.34 Num_heavy_atoms: 83
TPSA: 367.81 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
AD60521
Formula: C32H50O7

Smiles:
CC(=O)OC1C(O)C(C)(C)CC2C13C(=O)OC21CCC2C4(C)CCC(O)C(C)(C)C4CCC2(C)C1(C)CC3O
HBA: 7 RingCount: 6
HBD: 3 FractionCSP3: 0.94
AlogP: 4.39 Num_rotatable_bonds: 1
MolWt: 546.75 Num_heavy_atoms: 39
TPSA: 113.29 NumAromaticRings: 0

Sugarmoiety
SD00502

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