Glycoside
...
GD123056

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

Formula:
C47H76O17

Smiles:
CC(C)=CC1CC(O)(C2CCC3(C)C2CCC2C4(C)CCC(OC5OC(CO)C(O)C(OC6OCC(O)C(O)C6O)C5OC5OC(C)C(O)C(O)C5O)C(C)(C)C4CCC23C)C(=O)O1

Aglycone:
CC(C)=CC1CC(O)(C2CCC3(C)C2CCC2C4(C)CCC(O)C(C)(C)C4CCC23C)C(=O)O1

Sugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2OC2OCC(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 17 RingCount: 8
HBD: 9 FractionCSP3: 0.94
AlogP: 1.18 Num_rotatable_bonds: 9
MolWt: 913.11 Num_heavy_atoms: 64
TPSA: 263.75 NumAromaticRings: 0

Unique Aglycone
AD14189
Formula: C30H48O4

Smiles:
CC(C)=CC1CC(O)(C2CCC3(C)C2CCC2C4(C)CCC(O)C(C)(C)C4CCC23C)C(=O)O1
HBA: 4 RingCount: 5
HBD: 2 FractionCSP3: 0.9
AlogP: 6.05 Num_rotatable_bonds: 2
MolWt: 472.71 Num_heavy_atoms: 34
TPSA: 66.76 NumAromaticRings: 0

Sugarmoiety
SD01349

CC1OC(OC2C(O)OC(CO)C(O)C2OC2OCC(O)C(O)C2O)C(O)C(O)C1O