Glycoside
...
GD148187

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

Formula:
C48H84O17

Smiles:
CC1OC(OC2C(OC3CCC4(C)C(CCC5(C)C4CCC4C(C(C)(O)CCC(O)C(C)(C)O)CCC45C)C3(C)C)OC(CO)C(O)C2OC2OC(C)C(O)C(O)C2O)C(O)C(O)C1O

Aglycone:
CC(C)(O)C(O)CCC(C)(O)C1CCC2(C)C1CCC1C3(C)CCC(O)C(C)(C)C3CCC12C

Sugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2OC2OC(C)C(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 17 RingCount: 7
HBD: 11 FractionCSP3: 1.0
AlogP: 1.22 Num_rotatable_bonds: 12
MolWt: 933.18 Num_heavy_atoms: 65
TPSA: 277.91 NumAromaticRings: 0

Unique Aglycone
AD54493
Formula: C30H54O4

Smiles:
CC(C)(O)C(O)CCC(C)(O)C1CCC2(C)C1CCC1C3(C)CCC(O)C(C)(C)C3CCC12C
HBA: 4 RingCount: 4
HBD: 4 FractionCSP3: 1.0
AlogP: 5.7 Num_rotatable_bonds: 5
MolWt: 478.76 Num_heavy_atoms: 34
TPSA: 80.92 NumAromaticRings: 0

Sugarmoiety
SD00732

CC1OC(OC2C(O)OC(CO)C(O)C2OC2OC(C)C(O)C(O)C2O)C(O)C(O)C1O