Glycoside
...
GD146321

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

Formula:
C48H82O19

Smiles:
CC(C)=CC(O)C(O)C(CO)C1CCC2(C)C3CCC4C(C)(C)C(OC5OC(CO)C(O)C(OC6OC(CO)C(O)C(O)C6O)C5OC5OC(CO)C(O)C(O)C5O)CCC4(C)C3CCC12C

Aglycone:
CC(C)=CC(O)C(O)C(CO)C1CCC2(C)C3CCC4C(C)(C)C(O)CCC4(C)C3CCC12C

Sugarmoiety:
OCC1OC(OC2C(O)OC(CO)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 19 RingCount: 7
HBD: 13 FractionCSP3: 0.96
AlogP: -1.2 Num_rotatable_bonds: 14
MolWt: 963.17 Num_heavy_atoms: 67
TPSA: 318.37 NumAromaticRings: 0

Unique Aglycone
AD58686
Formula: C30H52O4

Smiles:
CC(C)=CC(O)C(O)C(CO)C1CCC2(C)C3CCC4C(C)(C)C(O)CCC4(C)C3CCC12C
HBA: 4 RingCount: 4
HBD: 4 FractionCSP3: 0.93
AlogP: 5.33 Num_rotatable_bonds: 5
MolWt: 476.74 Num_heavy_atoms: 34
TPSA: 80.92 NumAromaticRings: 0

Sugarmoiety
SD00673

OCC1OC(OC2C(O)OC(CO)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O