Glycoside
...
GD119601

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

Formula:
C64H106O32

Smiles:
CC(C)=CC(CC(C)(O)C1C(=O)CC2(CO)C1CCC1C3(C)CCC(OC4OCC(O)C(OC5OC(COC6OC(CO)C(O)C(O)C6O)C(O)C(O)C5OC5OCC(O)C(O)C5O)C4OC4OC(C)C(O)C(O)C4O)C(C)(C)C3CCC12C)OC1OC(CO)C(O)C(O)C1O

Aglycone:
CC(C)=CC(O)CC(C)(O)C1C(=O)CC2(CO)C1CCC1C3(C)CCC(O)C(C)(C)C3CCC12C

Sugarmoiety:
CC1OC(OC2C(O)OCC(O)C2OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2OC2OCC(O)C(O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 32 RingCount: 10
HBD: 19 FractionCSP3: 0.95
AlogP: -6.1 Num_rotatable_bonds: 20
MolWt: 1387.52 Num_heavy_atoms: 96
TPSA: 512.2 NumAromaticRings: 0

Unique Aglycone
AD47953
Formula: C30H50O5

Smiles:
CC(C)=CC(O)CC(C)(O)C1C(=O)CC2(CO)C1CCC1C3(C)CCC(O)C(C)(C)C3CCC12C
HBA: 5 RingCount: 4
HBD: 4 FractionCSP3: 0.9
AlogP: 4.65 Num_rotatable_bonds: 5
MolWt: 490.73 Num_heavy_atoms: 35
TPSA: 97.99 NumAromaticRings: 0

Sugarmoiety
SD04980

CC1OC(OC2C(O)OCC(O)C2OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2OC2OCC(O)C(O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O