Glycoside
...
GD115051

Name:
2-(9a,11a-dimethyl-5-oxo-7-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl)-6-methyl-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}heptan-3-one

Formula:
C45H74O19

Smiles:
CC(CCC(=O)C(C)C1CCC2C3CC(=O)C4CC(OC5OC(COC6OC(CO)C(O)C(O)C6O)C(O)C(O)C5O)CCC4(C)C3CCC12C)COC1OC(CO)C(O)C(O)C1O

Aglycone:
CC(CO)CCC(=O)C(C)C1CCC2C3CC(=O)C4CC(O)CCC4(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: 19 RingCount: 7
HBD: 11 FractionCSP3: 0.96
AlogP: -1.73 Num_rotatable_bonds: 15
MolWt: 919.07 Num_heavy_atoms: 64
TPSA: 312.05 NumAromaticRings: 0

Unique Aglycone
AD45445
Formula: C27H44O4

Smiles:
CC(CO)CCC(=O)C(C)C1CCC2C3CC(=O)C4CC(O)CCC4(C)C3CCC12C
HBA: 4 RingCount: 4
HBD: 2 FractionCSP3: 0.93
AlogP: 4.8 Num_rotatable_bonds: 6
MolWt: 432.65 Num_heavy_atoms: 31
TPSA: 74.6 NumAromaticRings: 0

Sugarmoiety
SD00518

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