Glycoside
...
GD153433

Name:
2-[(7-hydroxy-3a,6,6,9a,11a-pentamethyl-1-{6-methyl-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]hept-5-en-2-yl}-1H,2H,3H,3aH,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-10-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Formula:
C42H70O12

Smiles:
CC(C)=CC(CC(C)C1CCC2(C)C3=CCC4C(C)(C)C(O)CCC4(C)C3C(OC3OC(CO)C(O)C(O)C3O)CC12C)OC1OC(C)C(O)C(O)C1O

Aglycone:
CC(C)=CC(O)CC(C)C1CCC2(C)C3=CCC4C(C)(C)C(O)CCC4(C)C3C(O)CC12C

Sugarmoiety:
CC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 12 RingCount: 6
HBD: 8 FractionCSP3: 0.9
AlogP: 2.95 Num_rotatable_bonds: 9
MolWt: 767.01 Num_heavy_atoms: 54
TPSA: 198.76 NumAromaticRings: 0

Unique Aglycone
AD61022
Formula: C30H50O3

Smiles:
CC(C)=CC(O)CC(C)C1CCC2(C)C3=CCC4C(C)(C)C(O)CCC4(C)C3C(O)CC12C
HBA: 3 RingCount: 4
HBD: 3 FractionCSP3: 0.87
AlogP: 6.28 Num_rotatable_bonds: 4
MolWt: 458.73 Num_heavy_atoms: 33
TPSA: 60.69 NumAromaticRings: 0

Sugarmoiety
SD00170

CC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O