Glycoside
...
GD146089

Name:
2-[(3,5-dihydroxy-2-{[1-(3-hydroxy-6-methylheptan-2-yl)-9a,11a-dimethyl-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-2-yl]oxy}-6-(hydroxymethyl)oxan-4-yl)oxy]-6-methyloxane-3,4,5-triol

Formula:
C45H76O17

Smiles:
CC(C)CCC(O)C(C)C1C(OC2OC(CO)C(O)C(OC3OC(C)C(O)C(O)C3O)C2O)CC2C3CC=C4CC(OC5OC(CO)C(O)C(O)C5O)CCC4(C)C3CCC21C

Aglycone:
CC(C)CCC(O)C(C)C1C(O)CC2C3CC=C4CC(O)CCC4(C)C3CCC21C

Sugarmoiety:
CC1OC(OC2C(O)C(O)OC(CO)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 17 RingCount: 7
HBD: 11 FractionCSP3: 0.96
AlogP: -0.17 Num_rotatable_bonds: 13
MolWt: 889.09 Num_heavy_atoms: 62
TPSA: 277.91 NumAromaticRings: 0

Unique Aglycone
AD16126
Formula: C27H46O3

Smiles:
CC(C)CCC(O)C(C)C1C(O)CC2C3CC=C4CC(O)CCC4(C)C3CCC21C
HBA: 3 RingCount: 4
HBD: 3 FractionCSP3: 0.93
AlogP: 5.33 Num_rotatable_bonds: 5
MolWt: 418.66 Num_heavy_atoms: 30
TPSA: 60.69 NumAromaticRings: 0

Sugarmoiety
SD03058

CC1OC(OC2C(O)C(O)OC(CO)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O