Glycoside
...
GD127443

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

Formula:
C54H88O21

Smiles:
CC(C)=CC(=O)CC(C)(O)C1CCC2(C)C1C(=O)CC1C3(C)CCC(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O)C(OC5OC(C)C(O)C(O)C5O)C4OC4OC(C)C(O)C(O)C4O)C(C)(C)C3CCC12C

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

Sugarmoiety:
CC1OC(OCC2OC(O)C(OC3OC(C)C(O)C(O)C3O)C(OC3OC(C)C(O)C(O)C3O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 21 RingCount: 8
HBD: 11 FractionCSP3: 0.93
AlogP: 0.27 Num_rotatable_bonds: 13
MolWt: 1073.28 Num_heavy_atoms: 75
TPSA: 330.51 NumAromaticRings: 0

Unique Aglycone
AD51608
Formula: C30H48O4

Smiles:
CC(C)=CC(=O)CC(C)(O)C1CCC2(C)C1C(=O)CC1C3(C)CCC(O)C(C)(C)C3CCC12C
HBA: 4 RingCount: 4
HBD: 2 FractionCSP3: 0.87
AlogP: 5.89 Num_rotatable_bonds: 4
MolWt: 472.71 Num_heavy_atoms: 34
TPSA: 74.6 NumAromaticRings: 0

Sugarmoiety
SD01375

CC1OC(OCC2OC(O)C(OC3OC(C)C(O)C(O)C3O)C(OC3OC(C)C(O)C(O)C3O)C2O)C(O)C(O)C1O