Glycoside
...
GD142551

Name:
(6-{[7,11-dihydroxy-1-(2-hydroxy-6-methylhept-5-en-2-yl)-3a,3b,6,6,9a-pentamethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-5-yl]oxy}-3,4-dihydroxy-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl)methyl acetate

Formula:
C43H72O14

Smiles:
CC(=O)OCC1OC(OC2CC3(C)C(CC(O)C4C(C(C)(O)CCC=C(C)C)CCC43C)C3(C)CCC(O)C(C)(C)C23)C(OC2OCC(O)C(O)C2O)C(O)C1O

Aglycone:
CC(C)=CCCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(O)CC12C.COC(C)=O

Sugarmoiety:
OC1COC(OC2C(O)OC(O)C(O)C2O)C(O)C1O

Other Identifiers

Properties
HBA: 14 RingCount: 6
HBD: 8 FractionCSP3: 0.93
AlogP: 2.33 Num_rotatable_bonds: 10
MolWt: 813.04 Num_heavy_atoms: 57
TPSA: 225.06 NumAromaticRings: 0

Unique Aglycone
AD00017
Formula: C3H6O2

Smiles:
COC(C)=O
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.67
AlogP: 0.18 Num_rotatable_bonds: 0
MolWt: 74.08 Num_heavy_atoms: 5
TPSA: 26.3 NumAromaticRings: 0
AD00144
Formula: C30H52O4

Smiles:
CC(C)=CCCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(O)CC12C
HBA: 4 RingCount: 4
HBD: 4 FractionCSP3: 0.93
AlogP: 5.47 Num_rotatable_bonds: 4
MolWt: 476.74 Num_heavy_atoms: 34
TPSA: 80.92 NumAromaticRings: 0

Sugarmoiety
SD00060

OC1COC(OC2C(O)OC(O)C(O)C2O)C(O)C1O