Glycoside
...
GD143169

Name:
3a,6,6,9b,11a-pentamethyl-1-(6-methyl-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hepta-1,5-dien-2-yl)-7-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-10-one

Formula:
C48H76O18

Smiles:
C=C(CCC=C(C)COC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C3CC=C4C(CCC(OC5OC(COC6OC(CO)C(O)C(O)C6O)C(O)C(O)C5O)C4(C)C)C3(C)C(=O)CC12C

Aglycone:
C=C(CCC=C(C)CO)C1CCC2(C)C3CC=C4C(CCC(O)C4(C)C)C3(C)C(=O)CC12C

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 18 RingCount: 7
HBD: 11 FractionCSP3: 0.85
AlogP: -0.12 Num_rotatable_bonds: 14
MolWt: 941.12 Num_heavy_atoms: 66
TPSA: 294.98 NumAromaticRings: 0

Unique Aglycone
AD57592
Formula: C30H46O3

Smiles:
C=C(CCC=C(C)CO)C1CCC2(C)C3CC=C4C(CCC(O)C4(C)C)C3(C)C(=O)CC12C
HBA: 3 RingCount: 4
HBD: 2 FractionCSP3: 0.77
AlogP: 6.41 Num_rotatable_bonds: 5
MolWt: 454.7 Num_heavy_atoms: 33
TPSA: 57.53 NumAromaticRings: 0

Sugarmoiety
SD00518

OCC1OC(O)C(O)C(O)C1O.OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O