Glycoside
...
GD127222

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

Formula:
C51H82O26

Smiles:
CC(=O)C1C(OC(=O)CCC(C)COC2OC(CO)C(O)C(O)C2O)CC2C3CCC4CC(OC5OC(CO)C(OC6OC(CO)C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(O)C5O)CCC4(C)C3CC(=O)C21C

Aglycone:
CC(=O)C1C(OC(=O)CCC(C)CO)CC2C3CCC4CC(O)CCC4(C)C3CC(=O)C21C

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(OC2C(OC3C(CO)OC(O)C(O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 26 RingCount: 8
HBD: 14 FractionCSP3: 0.94
AlogP: -5.0 Num_rotatable_bonds: 18
MolWt: 1111.19 Num_heavy_atoms: 77
TPSA: 417.5 NumAromaticRings: 0

Unique Aglycone
AD51514
Formula: C27H42O6

Smiles:
CC(=O)C1C(OC(=O)CCC(C)CO)CC2C3CCC4CC(O)CCC4(C)C3CC(=O)C21C
HBA: 6 RingCount: 4
HBD: 2 FractionCSP3: 0.89
AlogP: 3.7 Num_rotatable_bonds: 6
MolWt: 462.63 Num_heavy_atoms: 33
TPSA: 100.9 NumAromaticRings: 0

Sugarmoiety
SD01473

OCC1OC(O)C(O)C(O)C1O.OCC1OC(OC2C(OC3C(CO)OC(O)C(O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1O