Glycoside
...
GD145611

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

Formula:
C45H74O20

Smiles:
CC(=O)C1C(OC(=O)CCC(C)COC2OC(CO)C(O)C(O)C2O)CC2C3CCC4CC(OC5OC(CO)C(O)C(O)C5OC5OC(CO)C(O)C(O)C5O)CCC4(C)C3CCC21C

Aglycone:
CC(=O)C1C(OC(=O)CCC(C)CO)CC2C3CCC4CC(O)CCC4(C)C3CCC21C

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

Other Identifiers

Properties
HBA: 20 RingCount: 7
HBD: 11 FractionCSP3: 0.96
AlogP: -2.0 Num_rotatable_bonds: 15
MolWt: 935.07 Num_heavy_atoms: 65
TPSA: 321.28 NumAromaticRings: 0

Unique Aglycone
AD58432
Formula: C27H44O5

Smiles:
CC(=O)C1C(OC(=O)CCC(C)CO)CC2C3CCC4CC(O)CCC4(C)C3CCC21C
HBA: 5 RingCount: 4
HBD: 2 FractionCSP3: 0.93
AlogP: 4.53 Num_rotatable_bonds: 6
MolWt: 448.64 Num_heavy_atoms: 32
TPSA: 83.83 NumAromaticRings: 0

Sugarmoiety
SD00069

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