Glycoside
...
GD125026

Name:
2-{[2-(9-hydroxy-9a,11a-dimethyl-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-1-yl)-5,6-dimethylhept-5-en-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

Formula:
C46H76O18

Smiles:
CC(C)=C(C)CC(OC1OC(CO)C(O)C(O)C1O)C(C)C1CCC2C3CC=C4CC(OC5OC(COC6OC(CO)C(O)C(O)C6O)C(O)C(O)C5O)CC(O)C4(C)C3CCC12C

Aglycone:
CC(C)=C(C)CC(O)C(C)C1CCC2C3CC=C4CC(O)CC(O)C4(C)C3CCC12C

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: 12 FractionCSP3: 0.91
AlogP: -0.89 Num_rotatable_bonds: 13
MolWt: 917.1 Num_heavy_atoms: 64
TPSA: 298.14 NumAromaticRings: 0

Unique Aglycone
AD50558
Formula: C28H46O3

Smiles:
CC(C)=C(C)CC(O)C(C)C1CCC2C3CC=C4CC(O)CC(O)C4(C)C3CCC12C
HBA: 3 RingCount: 4
HBD: 3 FractionCSP3: 0.86
AlogP: 5.64 Num_rotatable_bonds: 4
MolWt: 430.67 Num_heavy_atoms: 31
TPSA: 60.69 NumAromaticRings: 0

Sugarmoiety
SD00518

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