Glycoside
...
GD119815

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

Formula:
C46H76O18

Smiles:
CC(C)=CCCC(C)(OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)C1CCC2(C)C1C(=O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4O)CC3CCC12C

Aglycone:
CC(C)=CCCC(C)(O)C1CCC2(C)C1C(=O)CC1C3(C)CCC(O)CC3CCC12C

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: 0.93
AlogP: -0.45 Num_rotatable_bonds: 13
MolWt: 917.1 Num_heavy_atoms: 64
TPSA: 294.98 NumAromaticRings: 0

Unique Aglycone
AD48063
Formula: C28H46O3

Smiles:
CC(C)=CCCC(C)(O)C1CCC2(C)C1C(=O)CC1C3(C)CCC(O)CC3CCC12C
HBA: 3 RingCount: 4
HBD: 2 FractionCSP3: 0.89
AlogP: 6.07 Num_rotatable_bonds: 4
MolWt: 430.67 Num_heavy_atoms: 31
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