Glycoside
...
GD127363

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

Formula:
C48H80O19

Smiles:
C=C(C)C(=O)CCC(C)(OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC12C

Aglycone:
C=C(C)C(=O)CCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3CCC12C

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: 19 RingCount: 7
HBD: 12 FractionCSP3: 0.94
AlogP: -0.85 Num_rotatable_bonds: 14
MolWt: 961.15 Num_heavy_atoms: 67
TPSA: 315.21 NumAromaticRings: 0

Unique Aglycone
AD51579
Formula: C30H50O4

Smiles:
C=C(C)C(=O)CCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3CCC12C
HBA: 4 RingCount: 4
HBD: 3 FractionCSP3: 0.9
AlogP: 5.68 Num_rotatable_bonds: 5
MolWt: 474.73 Num_heavy_atoms: 34
TPSA: 77.76 NumAromaticRings: 0

Sugarmoiety
SD00069

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