Glycoside
...
GD149780

Name:
[3,4,5-tris(acetyloxy)-6-({6-[4,7-bis(acetyloxy)-9b-formyl-3a,6,6,11a-tetramethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]-2-methylhept-2-en-4-yl}oxy)oxan-2-yl]methyl acetate

Formula:
C48H70O15

Smiles:
CC(=O)OCC1OC(OC(C=C(C)C)CC(C)C2CCC3(C)C4C(OC(C)=O)C=C5C(CCC(OC(C)=O)C5(C)C)C4(C=O)CCC23C)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

Aglycone:
CC(=O)OC1C=C2C(CCC(OC(C)=O)C2(C)C)C2(C=O)CCC3(C)C(C(C)CC(O)C=C(C)C)CCC3(C)C12.COC(C)=O

Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

Properties
HBA: 15 RingCount: 5
HBD: 0 FractionCSP3: 0.77
AlogP: 6.7 Num_rotatable_bonds: 14
MolWt: 887.07 Num_heavy_atoms: 63
TPSA: 193.33 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
AD59877
Formula: C34H52O6

Smiles:
CC(=O)OC1C=C2C(CCC(OC(C)=O)C2(C)C)C2(C=O)CCC3(C)C(C(C)CC(O)C=C(C)C)CCC3(C)C12
HBA: 6 RingCount: 4
HBD: 1 FractionCSP3: 0.79
AlogP: 6.6 Num_rotatable_bonds: 7
MolWt: 556.78 Num_heavy_atoms: 40
TPSA: 89.9 NumAromaticRings: 0

Sugarmoiety
SD00012

CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O