Glycoside
...
GD122239

Name:
2-{7-[(5-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-4-hydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl)oxy]-9a,11a-dimethyl-2-oxo-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-ylidene}-6-methyl-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}heptan-3-one

Formula:
C50H78O22

Smiles:
CC(C(=O)CCC(C)COC1OC(CO)C(O)C(O)C1O)=C1C(=O)CC2C3CC=C4CC(OC5OC(CO)C(OC6OC(CO)C(O)C6O)C(O)C5OC5OC(C)C(O)C(O)C5O)CCC4(C)C3CCC12C

Aglycone:
CC(C(=O)CCC(C)CO)=C1C(=O)CC2C3CC=C4CC(O)CCC4(C)C3CCC12C

Sugarmoiety:
CC1OC(OC2C(O)OC(CO)C(OC3OC(CO)C(O)C3O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 22 RingCount: 8
HBD: 12 FractionCSP3: 0.88
AlogP: -2.25 Num_rotatable_bonds: 16
MolWt: 1031.15 Num_heavy_atoms: 72
TPSA: 350.74 NumAromaticRings: 0

Unique Aglycone
AD19730
Formula: C27H40O4

Smiles:
CC(C(=O)CCC(C)CO)=C1C(=O)CC2C3CC=C4CC(O)CCC4(C)C3CCC12C
HBA: 4 RingCount: 4
HBD: 2 FractionCSP3: 0.78
AlogP: 4.78 Num_rotatable_bonds: 5
MolWt: 428.61 Num_heavy_atoms: 31
TPSA: 74.6 NumAromaticRings: 0

Sugarmoiety
SD02281

CC1OC(OC2C(O)OC(CO)C(OC3OC(CO)C(O)C3O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O