Glycoside
...
GD125594

Name:
2-{[2-(5-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-7,11-dihydroxy-3a,6,6,9a-tetramethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl)-5-hydroxy-6-methylhept-3-en-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

Formula:
C47H80O19

Smiles:
CC(C)C(O)C=CC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C3CC(OC4OC(CO)C(O)C(O)C4OC4OC(C)C(O)C(O)C4O)C4C(C)(C)C(O)CCC4(C)C3CC(O)C12

Aglycone:
CC(C)C(O)C=CC(C)(O)C1CCC2(C)C3CC(O)C4C(C)(C)C(O)CCC4(C)C3CC(O)C12

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

Other Identifiers

Properties
HBA: 19 RingCount: 7
HBD: 13 FractionCSP3: 0.96
AlogP: -1.59 Num_rotatable_bonds: 12
MolWt: 949.14 Num_heavy_atoms: 66
TPSA: 318.37 NumAromaticRings: 0

Unique Aglycone
AD50797
Formula: C29H50O5

Smiles:
CC(C)C(O)C=CC(C)(O)C1CCC2(C)C3CC(O)C4C(C)(C)C(O)CCC4(C)C3CC(O)C12
HBA: 5 RingCount: 4
HBD: 5 FractionCSP3: 0.93
AlogP: 3.91 Num_rotatable_bonds: 4
MolWt: 478.71 Num_heavy_atoms: 34
TPSA: 101.15 NumAromaticRings: 0

Sugarmoiety
SD00525

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